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PubChem AID 2173

Compile data set for download or QSAR
Found 125 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
NS3


(Hepatitis C virus)
BDBM46566
PNG
(MLS000589113 | N-(3-Benzenesulfonyl-1-butyl-1H-pyr...)
Show SMILES CCCCn1c(NS(=O)(=O)c2ccc(C)cc2)c(c2nc3ccccc3nc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C27H26N4O4S2/c1-3-4-18-31-26-24(28-22-12-8-9-13-23(22)29-26)25(36(32,33)20-10-6-5-7-11-20)27(31)30-37(34,35)21-16-14-19(2)15-17-21/h5-17,30H,3-4,18H2,1-2H3
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n/an/a 662n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55058
PNG
(2,6,7-trihydroxy-9-(2-nitrophenyl)-3-xanthenone | ...)
Show SMILES Oc1cc2oc3cc(=O)c(O)cc3c(-c3ccccc3[N+]([O-])=O)c2cc1O
Show InChI InChI=1S/C19H11NO7/c21-13-5-10-17(7-15(13)23)27-18-8-16(24)14(22)6-11(18)19(10)9-3-1-2-4-12(9)20(25)26/h1-8,21-23H
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n/an/a 990n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55057
PNG
(2-(benzylthio)-4-(3-methoxy-4-propoxyphenyl)-6-oxo...)
Show SMILES CCCOc1ccc(cc1OC)-c1nc(SCc2ccccc2)[nH]c(=O)c1C#N
Show InChI InChI=1S/C22H21N3O3S/c1-3-11-28-18-10-9-16(12-19(18)27-2)20-17(13-23)21(26)25-22(24-20)29-14-15-7-5-4-6-8-15/h4-10,12H,3,11,14H2,1-2H3,(H,24,25,26)
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n/an/a 1.72E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55075
PNG
(3-(5-methylfuran-2-yl)carbonyl-1-(5-methyl-1,2-oxa...)
Show SMILES Cc1ccc(o1)C(=O)C1C(N(C(=O)C1=O)c1cc(C)on1)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C27H22N2O6/c1-16-8-13-21(34-16)25(30)23-24(29(27(32)26(23)31)22-14-17(2)35-28-22)19-9-11-20(12-10-19)33-15-18-6-4-3-5-7-18/h3-14,23-24H,15H2,1-2H3
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n/an/a 1.74E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55076
PNG
(3-(5-methylfuran-2-yl)carbonyl-1-(5-methyl-1,2-oxa...)
Show SMILES Cc1ccc(o1)C(=O)C1C(N(C(=O)C1=O)c1cc(C)on1)c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C26H20N2O6/c1-15-11-12-20(32-15)24(29)22-23(28(26(31)25(22)30)21-13-16(2)34-27-21)17-7-6-10-19(14-17)33-18-8-4-3-5-9-18/h3-14,22-23H,1-2H3
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n/an/a 1.95E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM51184
PNG
(2-[6-(4-butoxyphenyl)-3-cyano-4-(trifluoromethyl)p...)
Show SMILES CCCCOc1ccc(cc1)-c1cc(c(C#N)c(SCC(O)=O)n1)C(F)(F)F
Show InChI InChI=1S/C19H17F3N2O3S/c1-2-3-8-27-13-6-4-12(5-7-13)16-9-15(19(20,21)22)14(10-23)18(24-16)28-11-17(25)26/h4-7,9H,2-3,8,11H2,1H3,(H,25,26)
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n/an/a 1.98E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM29680
PNG
(2-[(6,7-dihydroxy-2-keto-chromen-4-yl)methylthio]-...)
Show SMILES COc1cccc(c1)-n1c(SCc2cc(=O)oc3cc(O)c(O)cc23)nc2ccccc2c1=O
Show InChI InChI=1S/C25H18N2O6S/c1-32-16-6-4-5-15(10-16)27-24(31)17-7-2-3-8-19(17)26-25(27)34-13-14-9-23(30)33-22-12-21(29)20(28)11-18(14)22/h2-12,28-29H,13H2,1H3
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n/an/a 2.31E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55065
PNG
(3-(5-methylfuran-2-yl)carbonyl-1-(5-methyl-1,2-oxa...)
Show SMILES CCCCCOc1ccc(cc1)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1c1cc(C)on1
Show InChI InChI=1S/C25H26N2O6/c1-4-5-6-13-31-18-10-8-17(9-11-18)22-21(23(28)19-12-7-15(2)32-19)24(29)25(30)27(22)20-14-16(3)33-26-20/h7-12,14,21-22H,4-6,13H2,1-3H3
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n/an/a 2.44E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55079
PNG
(3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(5-methyl-...)
Show SMILES Cc1cc(no1)N1C(C(C(=O)c2cc3ccccc3o2)C(=O)C1=O)c1ccc(C)cc1
Show InChI InChI=1S/C24H18N2O5/c1-13-7-9-15(10-8-13)21-20(22(27)18-12-16-5-3-4-6-17(16)30-18)23(28)24(29)26(21)19-11-14(2)31-25-19/h3-12,20-21H,1-2H3
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n/an/a 2.49E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM33139
PNG
(3-[(E)-3-(2,5-dimethylphenyl)-1-oxoprop-2-enyl]-2-...)
Show SMILES Cc1ccc(C)c(\C=C\C(=O)c2ccccc(=O)c2O)c1
Show InChI InChI=1S/C18H16O3/c1-12-7-8-13(2)14(11-12)9-10-16(19)15-5-3-4-6-17(20)18(15)21/h3-11H,1-2H3,(H,20,21)/b10-9+
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n/an/a 2.52E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM46226
PNG
(MLS-0266887.0001 | cid_2545524)
Show SMILES CCOC(=O)c1sc2nc3c(SCCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1cc(OC)ccc1O
Show InChI InChI=1S/C25H22N2O8S2/c1-4-35-25(33)21-12(2)19-23(37-21)26-22-17(36-8-7-18(29)30)9-13(11-27(22)24(19)32)20(31)15-10-14(34-3)5-6-16(15)28/h5-6,9-11,28H,4,7-8H2,1-3H3,(H,29,30)
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n/an/a 2.58E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM33135
PNG
(3-[(E)-3-(3,4-dimethylphenyl)-1-oxoprop-2-enyl]-2-...)
Show SMILES Cc1ccc(\C=C\C(=O)c2ccccc(=O)c2O)cc1C
Show InChI InChI=1S/C18H16O3/c1-12-7-8-14(11-13(12)2)9-10-16(19)15-5-3-4-6-17(20)18(15)21/h3-11H,1-2H3,(H,20,21)/b10-9+
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n/an/a 2.63E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55078
PNG
(3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxa...)
Show SMILES Cc1cc(no1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C25H18N2O6/c1-15-13-20(26-33-15)27-22(21(24(29)25(27)30)23(28)19-11-6-12-31-19)16-7-5-10-18(14-16)32-17-8-3-2-4-9-17/h2-14,21-22H,1H3
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n/an/a 2.64E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55070
PNG
(2-(3-methoxy-4-phenylmethoxy-phenyl)-3-(5-methylfu...)
Show SMILES COc1cc(ccc1OCc1ccccc1)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1c1cc(C)on1
Show InChI InChI=1S/C28H24N2O7/c1-16-9-11-21(36-16)26(31)24-25(30(28(33)27(24)32)23-13-17(2)37-29-23)19-10-12-20(22(14-19)34-3)35-15-18-7-5-4-6-8-18/h4-14,24-25H,15H2,1-3H3
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n/an/a 2.68E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM33150
PNG
(3-[(E)-3-(2,4-dimethylphenyl)-1-oxoprop-2-enyl]-2-...)
Show SMILES Cc1ccc(\C=C\C(=O)c2ccccc(=O)c2O)c(C)c1
Show InChI InChI=1S/C18H16O3/c1-12-7-8-14(13(2)11-12)9-10-16(19)15-5-3-4-6-17(20)18(15)21/h3-11H,1-2H3,(H,20,21)/b10-9+
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n/an/a 2.90E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55067
PNG
(2-(3-butoxyphenyl)-1-(2-furanylmethyl)-4-hydroxy-3...)
Show SMILES CCCCOc1cccc(c1)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1Cc1ccco1
Show InChI InChI=1S/C25H25NO6/c1-3-4-12-30-18-8-5-7-17(14-18)22-21(23(27)20-11-10-16(2)32-20)24(28)25(29)26(22)15-19-9-6-13-31-19/h5-11,13-14,21-22H,3-4,12,15H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55039
PNG
(1-(6-methylpyridin-2-yl)-4-oxidanyl-2-(3-phenoxyph...)
Show SMILES Cc1cccc(n1)N1C(C(C(=O)c2cccs2)C(=O)C1=O)c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C27H20N2O4S/c1-17-8-5-14-22(28-17)29-24(23(26(31)27(29)32)25(30)21-13-7-15-34-21)18-9-6-12-20(16-18)33-19-10-3-2-4-11-19/h2-16,23-24H,1H3
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n/an/a 3.02E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM51783
PNG
(3-[(5E)-5-[1-(2-chlorobenzyl)-2-keto-indolin-3-yli...)
Show SMILES OC(=O)CCN1C(=S)S\C(C1=O)=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc12
Show InChI InChI=1S/C21H15ClN2O4S2/c22-14-7-3-1-5-12(14)11-24-15-8-4-2-6-13(15)17(19(24)27)18-20(28)23(21(29)30-18)10-9-16(25)26/h1-8H,9-11H2,(H,25,26)/b18-17+
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n/an/a 3.07E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55068
PNG
(2-(4-butoxyphenyl)-1-(2-furanylmethyl)-4-hydroxy-3...)
Show SMILES CCCCOc1ccc(cc1)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1Cc1ccco1
Show InChI InChI=1S/C25H25NO6/c1-3-4-13-30-18-10-8-17(9-11-18)22-21(23(27)20-12-7-16(2)32-20)24(28)25(29)26(22)15-19-6-5-14-31-19/h5-12,14,21-22H,3-4,13,15H2,1-2H3
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n/an/a 3.26E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55064
PNG
(3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)...)
Show SMILES Cc1ccc2nc(sc2c1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1ccc(O)cc1
Show InChI InChI=1S/C23H16N2O5S/c1-12-4-9-15-17(11-12)31-23(24-15)25-19(13-5-7-14(26)8-6-13)18(21(28)22(25)29)20(27)16-3-2-10-30-16/h2-11,18-19,26H,1H3
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n/an/a 3.42E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55066
PNG
(MLS001139963 | N-[4,5-bis(2-furanyl)-2-thiazolyl]-...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)Nc1nc(-c2ccco2)c(s1)-c1ccco1
Show InChI InChI=1S/C16H9N3O6S/c20-15(11-5-6-12(25-11)19(21)22)18-16-17-13(9-3-1-7-23-9)14(26-16)10-4-2-8-24-10/h1-8H,(H,17,18,20)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM31757
PNG
(6-hydroxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]qui...)
Show SMILES OC(=O)C1Nc2c(O)cccc2C2C=CCC12
Show InChI InChI=1S/C13H13NO3/c15-10-6-2-5-8-7-3-1-4-9(7)12(13(16)17)14-11(8)10/h1-3,5-7,9,12,14-15H,4H2,(H,16,17)
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n/an/a 3.43E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM44239
PNG
(3-[2-(4-chloranyl-2-methyl-phenoxy)phenyl]-3-oxida...)
Show SMILES Cc1cc(Cl)ccc1Oc1ccccc1C(=O)CC#N
Show InChI InChI=1S/C16H12ClNO2/c1-11-10-12(17)6-7-15(11)20-16-5-3-2-4-13(16)14(19)8-9-18/h2-7,10H,8H2,1H3
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n/an/a 3.55E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM31727
PNG
(7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]...)
Show SMILES Cc1cc(C)c2C3C=CCC3C(Nc2c1)C(O)=O
Show InChI InChI=1S/C15H17NO2/c1-8-6-9(2)13-10-4-3-5-11(10)14(15(17)18)16-12(13)7-8/h3-4,6-7,10-11,14,16H,5H2,1-2H3,(H,17,18)
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n/an/a 3.67E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM54408
PNG
((5Z)-5-[3-[3-(2-methoxyphenoxy)propoxy]benzylidene...)
Show SMILES COc1ccccc1OCCCOc1cccc(\C=C2/SC(=O)NC2=O)c1
Show InChI InChI=1S/C20H19NO5S/c1-24-16-8-2-3-9-17(16)26-11-5-10-25-15-7-4-6-14(12-15)13-18-19(22)21-20(23)27-18/h2-4,6-9,12-13H,5,10-11H2,1H3,(H,21,22,23)/b18-13-
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n/an/a 3.82E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM32310
PNG
(MLS000390238 | SMR000259502 | cid_6311834)
Show SMILES Nc1c(sc2nc3\C(CCc3c(-c3ccco3)c12)=C\c1ccco1)C(=O)NCC1CCCO1
Show InChI InChI=1S/C25H23N3O4S/c26-21-20-19(18-6-3-11-32-18)17-8-7-14(12-15-4-1-9-30-15)22(17)28-25(20)33-23(21)24(29)27-13-16-5-2-10-31-16/h1,3-4,6,9,11-12,16H,2,5,7-8,10,13,26H2,(H,27,29)/b14-12+
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n/an/a 3.91E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM50747
PNG
(7-bromanyl-N-(2-methoxyphenyl)-3-oxidanyl-naphthal...)
Show SMILES COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O
Show InChI InChI=1S/C18H14BrNO3/c1-23-17-5-3-2-4-15(17)20-18(22)14-9-12-8-13(19)7-6-11(12)10-16(14)21/h2-10,21H,1H3,(H,20,22)
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n/an/a>4.03E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55073
PNG
(MLS001240183 | N'-(3,5-dichloro-4-hydroxybenzy...)
Show SMILES Oc1c(Cl)cc(C=NNC(=O)c2cc3c(ccc4ccccc34)o2)cc1Cl
Show InChI InChI=1S/C20H12Cl2N2O3/c21-15-7-11(8-16(22)19(15)25)10-23-24-20(26)18-9-14-13-4-2-1-3-12(13)5-6-17(14)27-18/h1-10,25H,(H,24,26)
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n/an/a 4.26E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55069
PNG
(1-benzyl-2-(3-ethoxyphenyl)-4-hydroxy-3-(5-methylf...)
Show SMILES CCOc1cccc(c1)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1Cc1ccccc1
Show InChI InChI=1S/C25H23NO5/c1-3-30-19-11-7-10-18(14-19)22-21(23(27)20-13-12-16(2)31-20)24(28)25(29)26(22)15-17-8-5-4-6-9-17/h4-14,21-22H,3,15H2,1-2H3
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n/an/a 4.29E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55033
PNG
(5-bromanyl-3-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-...)
Show SMILES CCOc1ccc(\C=C\C(=O)c2cc(Br)ccc(=O)c2O)cc1
Show InChI InChI=1S/C18H15BrO4/c1-2-23-14-7-3-12(4-8-14)5-9-16(20)15-11-13(19)6-10-17(21)18(15)22/h3-11H,2H2,1H3,(H,21,22)/b9-5+
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n/an/a 4.35E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM39628
PNG
((E)-2-(benzenesulfonyl)-3-(3,4-dihydroxyphenyl)-2-...)
Show SMILES Oc1ccc(\C=C(/C#N)S(=O)(=O)c2ccccc2)cc1O
Show InChI InChI=1S/C15H11NO4S/c16-10-13(8-11-6-7-14(17)15(18)9-11)21(19,20)12-4-2-1-3-5-12/h1-9,17-18H/b13-8+
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n/an/a 4.39E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55055
PNG
(2-methylpropyl 4-[[2-methoxy-5-[[(3,4,5-trihydroxy...)
Show SMILES COc1ccc(C=NNC(=O)c2cc(O)c(O)c(O)c2)cc1COc1ccc(cc1)C(=O)OCC(C)C
Show InChI InChI=1S/C27H28N2O8/c1-16(2)14-37-27(34)18-5-7-21(8-6-18)36-15-20-10-17(4-9-24(20)35-3)13-28-29-26(33)19-11-22(30)25(32)23(31)12-19/h4-13,16,30-32H,14-15H2,1-3H3,(H,29,33)
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n/an/a 4.44E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM32313
PNG
(3-[(E)-3-(2-chlorophenyl)-1-oxoprop-2-enyl]-2-hydr...)
Show SMILES Oc1c(ccccc1=O)C(=O)\C=C\c1ccccc1Cl
Show InChI InChI=1S/C16H11ClO3/c17-13-7-3-1-5-11(13)9-10-14(18)12-6-2-4-8-15(19)16(12)20/h1-10H,(H,19,20)/b10-9+
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n/an/a 4.49E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55016
PNG
((4E)-5-(3-chlorophenyl)-4-[2,3-dihydro-1,4-benzodi...)
Show SMILES Clc1cccc(c1)C1C(C(=O)c2ccc3OCCOc3c2)C(=O)C(=O)N1Cc1ccco1
Show InChI InChI=1S/C24H18ClNO6/c25-16-4-1-3-14(11-16)21-20(23(28)24(29)26(21)13-17-5-2-8-30-17)22(27)15-6-7-18-19(12-15)32-10-9-31-18/h1-8,11-12,20-21H,9-10,13H2
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n/an/a 4.61E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM53121
PNG
((5E)-5-(2-furanylmethylidene)-1-(4-methoxyphenyl)-...)
Show SMILES COc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccco2)C1=O
Show InChI InChI=1S/C16H12N2O4S/c1-21-11-6-4-10(5-7-11)18-15(20)13(14(19)17-16(18)23)9-12-3-2-8-22-12/h2-9H,1H3,(H,17,19,23)
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n/an/a 4.61E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM53358
PNG
(3-(furan-2-carbonyl)-4-hydroxy-2-(4-methylsulfanyl...)
Show SMILES CSc1nnc(s1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1ccc(SC)cc1
Show InChI InChI=1S/C19H15N3O4S3/c1-27-11-7-5-10(6-8-11)14-13(15(23)12-4-3-9-26-12)16(24)17(25)22(14)18-20-21-19(28-2)29-18/h3-9,13-14H,1-2H3
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n/an/a 4.87E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55077
PNG
(3-(1-benzofuran-2-carbonyl)-2-(3,4-dimethoxyphenyl...)
Show SMILES COc1ccc(cc1OC)C1C(C(=O)c2cc3ccccc3o2)C(=O)C(=O)N1c1cc(C)on1
Show InChI InChI=1S/C25H20N2O7/c1-13-10-20(26-34-13)27-22(15-8-9-17(31-2)18(12-15)32-3)21(24(29)25(27)30)23(28)19-11-14-6-4-5-7-16(14)33-19/h4-12,21-22H,1-3H3
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n/an/a 4.98E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM50427
PNG
(2-[(E)-3-[2,3-bis(chloranyl)phenyl]prop-2-enoyl]-4...)
Show SMILES CNc1ccc(Br)cc(C(=O)\C=C\c2cccc(Cl)c2Cl)c1=O
Show InChI InChI=1S/C17H12BrCl2NO2/c1-21-14-7-6-11(18)9-12(17(14)23)15(22)8-5-10-3-2-4-13(19)16(10)20/h2-9H,1H3,(H,21,23)/b8-5+
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n/an/a 5.02E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55074
PNG
((4E)-1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-[2,3...)
Show SMILES COc1ccc(cc1)C1C(C(=O)c2ccc3OCCOc3c2)C(=O)C(=O)N1c1nc(C)c(s1)C(C)=O
Show InChI InChI=1S/C26H22N2O7S/c1-13-24(14(2)29)36-26(27-13)28-21(15-4-7-17(33-3)8-5-15)20(23(31)25(28)32)22(30)16-6-9-18-19(12-16)35-11-10-34-18/h4-9,12,20-21H,10-11H2,1-3H3
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n/an/a 5.13E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55063
PNG
(2-(3-ethoxy-4-propoxy-phenyl)-1-(furan-2-ylmethyl)...)
Show SMILES CCCOc1ccc(cc1OCC)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1Cc1ccco1
Show InChI InChI=1S/C26H27NO7/c1-4-12-33-19-11-9-17(14-21(19)31-5-2)23-22(24(28)20-10-8-16(3)34-20)25(29)26(30)27(23)15-18-7-6-13-32-18/h6-11,13-14,22-23H,4-5,12,15H2,1-3H3
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n/an/a 5.19E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55042
PNG
(6-(4-Chloro-phenylsulfanylmethyl)-2-phenyl-1,2-dih...)
Show SMILES Oc1cc(CSc2ccc(Cl)cc2)nc2[nH]n(-c3ccccc3)c(=O)c12
Show InChI InChI=1S/C19H14ClN3O2S/c20-12-6-8-15(9-7-12)26-11-13-10-16(24)17-18(21-13)22-23(19(17)25)14-4-2-1-3-5-14/h1-10H,11H2,(H2,21,22,24)
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n/an/a 5.22E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM37650
PNG
(3-(1-benzofuran-2-carbonyl)-2-(2,5-dimethoxyphenyl...)
Show SMILES COc1ccc(OC)c(c1)C1C(C(=O)c2cc3ccccc3o2)C(=O)C(=O)N1c1cc(C)on1
Show InChI InChI=1S/C25H20N2O7/c1-13-10-20(26-34-13)27-22(16-12-15(31-2)8-9-18(16)32-3)21(24(29)25(27)30)23(28)19-11-14-6-4-5-7-17(14)33-19/h4-12,21-22H,1-3H3
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n/an/a 5.29E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM48854
PNG
((6E)-2-(2-furanyl)-5-imino-6-[[1-(4-methylphenyl)-...)
Show SMILES Cc1ccc(cc1)-n1cccc1\C=C1\C(=O)N=C2SC(=NN2C1=N)c1ccco1
Show InChI InChI=1S/C21H15N5O2S/c1-13-6-8-14(9-7-13)25-10-2-4-15(25)12-16-18(22)26-21(23-19(16)27)29-20(24-26)17-5-3-11-28-17/h2-12,22H,1H3/b16-12+,22-18?
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n/an/a 5.31E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM33145
PNG
(3-[[[(E)-(2,3-dihydroxy-4-keto-cyclohexa-2,5-dien-...)
Show SMILES CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)NN=Cc1ccc(O)c(O)c1O
Show InChI InChI=1S/C18H21N3O6S/c1-3-21(4-2)28(26,27)14-7-5-6-12(10-14)18(25)20-19-11-13-8-9-15(22)17(24)16(13)23/h5-11,22-24H,3-4H2,1-2H3,(H,20,25)
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n/an/a 5.31E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM50629
PNG
((5Z)-5-[(E)-3-(2-furanyl)prop-2-enylidene]-3-(4-hy...)
Show SMILES Oc1ccc(cc1)N1C(=S)S\C(=C/C=C/c2ccco2)C1=O
Show InChI InChI=1S/C16H11NO3S2/c18-12-8-6-11(7-9-12)17-15(19)14(22-16(17)21)5-1-3-13-4-2-10-20-13/h1-10,18H/b3-1+,14-5-
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n/an/a 5.35E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55072
PNG
(2-(3-chlorophenyl)-1-(2-furanylmethyl)-4-hydroxy-3...)
Show SMILES Cc1ccc(o1)C(=O)C1C(N(Cc2ccco2)C(=O)C1=O)c1cccc(Cl)c1
Show InChI InChI=1S/C21H16ClNO5/c1-12-7-8-16(28-12)19(24)17-18(13-4-2-5-14(22)10-13)23(21(26)20(17)25)11-15-6-3-9-27-15/h2-10,17-18H,11H2,1H3
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n/an/a 5.36E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55037
PNG
(3-(5-{[3-(2-anilino-2-oxoethyl)-2,4-dioxo-1,3-thia...)
Show SMILES Cc1ccc(cc1-c1ccc(\C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)o1)C(O)=O
Show InChI InChI=1S/C24H18N2O6S/c1-14-7-8-15(23(29)30)11-18(14)19-10-9-17(32-19)12-20-22(28)26(24(31)33-20)13-21(27)25-16-5-3-2-4-6-16/h2-12H,13H2,1H3,(H,25,27)(H,29,30)/b20-12-
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n/an/a 5.39E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM53463
PNG
(1-[[4-(1-adamantyl)phenyl]methylideneamino]thioure...)
Show SMILES NC(=S)NN=Cc1ccc(cc1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C18H23N3S/c19-17(22)21-20-11-12-1-3-16(4-2-12)18-8-13-5-14(9-18)7-15(6-13)10-18/h1-4,11,13-15H,5-10H2,(H3,19,21,22)
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n/an/a 5.41E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55025
PNG
(Benzoic acid N'-[1-(2-cyclohex-1-enyl-ethyl)-4...)
Show SMILES O=C(NNC=C1C(=O)NC(=S)N(CCC2=CCCCC2)C1=O)c1ccccc1
Show InChI InChI=1S/C20H22N4O3S/c25-17(15-9-5-2-6-10-15)23-21-13-16-18(26)22-20(28)24(19(16)27)12-11-14-7-3-1-4-8-14/h2,5-7,9-10,13,21H,1,3-4,8,11-12H2,(H,23,25)(H,22,26,28)
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n/an/a 5.41E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM32311
PNG
(MLS000390291 | SMR000259554 | cid_7125637)
Show SMILES Nc1c(sc2nc3\C(CCc3c(-c3ccco3)c12)=C/c1ccco1)C(=O)NC1CC1
Show InChI InChI=1S/C23H19N3O3S/c24-19-18-17(16-4-2-10-29-16)15-8-5-12(11-14-3-1-9-28-14)20(15)26-23(18)30-21(19)22(27)25-13-6-7-13/h1-4,9-11,13H,5-8,24H2,(H,25,27)/b12-11-
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n/an/a 5.48E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM33113
PNG
((5Z)-2-(2,3-dimethylanilino)-5-[(E)-3-(2-furanyl)p...)
Show SMILES Cc1cccc(NC2=NC(=O)C(S2)=CC=Cc2ccco2)c1C
Show InChI InChI=1S/C18H16N2O2S/c1-12-6-3-9-15(13(12)2)19-18-20-17(21)16(23-18)10-4-7-14-8-5-11-22-14/h3-11H,1-2H3,(H,19,20,21)
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n/an/a 5.49E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM46177
PNG
(MLS-0054638.0001 | N-cyclopentyl-2,3-bis(2-furanyl...)
Show SMILES O=C(NC1CCCC1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C22H19N3O3/c26-22(23-15-5-1-2-6-15)14-9-10-16-17(13-14)25-21(19-8-4-12-28-19)20(24-16)18-7-3-11-27-18/h3-4,7-13,15H,1-2,5-6H2,(H,23,26)
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n/an/a 5.49E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM47246
PNG
((4E)-4-[(5-naphthalen-1-ylsulfanylfuran-2-yl)methy...)
Show SMILES O=C1NN(C(=O)\C1=C\c1ccc(Sc2cccc3ccccc23)o1)c1ccccc1
Show InChI InChI=1S/C24H16N2O3S/c27-23-20(24(28)26(25-23)17-9-2-1-3-10-17)15-18-13-14-22(29-18)30-21-12-6-8-16-7-4-5-11-19(16)21/h1-15H,(H,25,27)/b20-15+
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n/an/a 5.55E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55032
PNG
(MLS000335705 | N-[4,5-bis(2-furanyl)-2-thiazolyl]-...)
Show SMILES O=C(CCCSc1ccccc1)Nc1nc(-c2ccco2)c(s1)-c1ccco1
Show InChI InChI=1S/C21H18N2O3S2/c24-18(11-6-14-27-15-7-2-1-3-8-15)22-21-23-19(16-9-4-12-25-16)20(28-21)17-10-5-13-26-17/h1-5,7-10,12-13H,6,11,14H2,(H,22,23,24)
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n/an/a 5.62E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55061
PNG
(2-[2-(2,5-dimethoxyphenyl)-4-hydroxy-3-[(5-methyl-...)
Show SMILES COC(=O)c1sc(nc1C)N1C(C(C(=O)c2ccc(C)o2)C(=O)C1=O)c1cc(OC)ccc1OC
Show InChI InChI=1S/C24H22N2O8S/c1-11-6-8-16(34-11)19(27)17-18(14-10-13(31-3)7-9-15(14)32-4)26(22(29)20(17)28)24-25-12(2)21(35-24)23(30)33-5/h6-10,17-18H,1-5H3
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n/an/a 5.66E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55056
PNG
((4Z)-4-[hydroxy-(3-methyl-4-propoxy-phenyl)methyle...)
Show SMILES CCCOc1ccc(cc1C)C(=O)C1C(N(C(=O)C1=O)c1ccccn1)c1ccc(OC)cc1
Show InChI InChI=1S/C27H26N2O5/c1-4-15-34-21-13-10-19(16-17(21)2)25(30)23-24(18-8-11-20(33-3)12-9-18)29(27(32)26(23)31)22-7-5-6-14-28-22/h5-14,16,23-24H,4,15H2,1-3H3
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n/an/a 5.74E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55052
PNG
((4E)-5-(2-fluorophenyl)-4-[(3-methyl-4-propoxy-phe...)
Show SMILES CCCOc1ccc(cc1C)C(=O)C1C(N(C(=O)C1=O)c1ccccn1)c1ccccc1F
Show InChI InChI=1S/C26H23FN2O4/c1-3-14-33-20-12-11-17(15-16(20)2)24(30)22-23(18-8-4-5-9-19(18)27)29(26(32)25(22)31)21-10-6-7-13-28-21/h4-13,15,22-23H,3,14H2,1-2H3
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n/an/a 5.77E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55040
PNG
(1-(6-methylpyridin-2-yl)-4-oxidanyl-2-(4-propan-2-...)
Show SMILES CC(C)c1ccc(cc1)C1C(C(=O)c2cccs2)C(=O)C(=O)N1c1cccc(C)n1
Show InChI InChI=1S/C24H22N2O3S/c1-14(2)16-9-11-17(12-10-16)21-20(22(27)18-7-5-13-30-18)23(28)24(29)26(21)19-8-4-6-15(3)25-19/h4-14,20-21H,1-3H3
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n/an/a 5.88E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM32280
PNG
(MLS000534769 | N-(4-acetylphenyl)-2,3-bis(2-furany...)
Show SMILES CC(=O)c1ccc(NC(=O)c2ccc3nc(-c4ccco4)c(nc3c2)-c2ccco2)cc1
Show InChI InChI=1S/C25H17N3O4/c1-15(29)16-6-9-18(10-7-16)26-25(30)17-8-11-19-20(14-17)28-24(22-5-3-13-32-22)23(27-19)21-4-2-12-31-21/h2-14H,1H3,(H,26,30)
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n/an/a 5.88E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM48795
PNG
(4-(2-{[1-(3-chlorophenyl)-2,5-dioxo-4-imidazolidin...)
Show SMILES OC(=O)c1ccc(cc1)-n1cccc1C=C1NC(=O)N(C1=O)c1cccc(Cl)c1
Show InChI InChI=1S/C21H14ClN3O4/c22-14-3-1-4-17(11-14)25-19(26)18(23-21(25)29)12-16-5-2-10-24(16)15-8-6-13(7-9-15)20(27)28/h1-12H,(H,23,29)(H,27,28)
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n/an/a 6.07E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55062
PNG
(3-(5-methylfuran-2-yl)carbonyl-4-oxidanyl-2-(3-phe...)
Show SMILES Cc1ccc(o1)C(=O)C1C(N(Cc2cccnc2)C(=O)C1=O)c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C28H22N2O5/c1-18-12-13-23(34-18)26(31)24-25(30(28(33)27(24)32)17-19-7-6-14-29-16-19)20-8-5-11-22(15-20)35-21-9-3-2-4-10-21/h2-16,24-25H,17H2,1H3
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n/an/a 6.11E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55054
PNG
((4Z)-4-[(4-methoxyphenyl)-oxidanyl-methylidene]-5-...)
Show SMILES COc1ccc(cc1)C(=O)C1C(N(C(=O)C1=O)c1ccccn1)c1ccc(cc1)C(C)C
Show InChI InChI=1S/C26H24N2O4/c1-16(2)17-7-9-18(10-8-17)23-22(24(29)19-11-13-20(32-3)14-12-19)25(30)26(31)28(23)21-6-4-5-15-27-21/h4-16,22-23H,1-3H3
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n/an/a 6.24E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM53822
PNG
(MLS000587888 | N-[(5Z)-5-(2-furanylmethylidene)-4-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC1=NC(=O)\C(S1)=C\c1ccco1
Show InChI InChI=1S/C15H12N2O5S2/c1-21-10-4-6-12(7-5-10)24(19,20)17-15-16-14(18)13(23-15)9-11-3-2-8-22-11/h2-9H,1H3,(H,16,17,18)/b13-9-
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n/an/a 6.31E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM37660
PNG
((4Z)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[(4-ethox...)
Show SMILES CCOc1ccc(cc1)C(=O)C1C(N(C(=O)C1=O)c1nc(C)c(C)s1)c1ccco1
Show InChI InChI=1S/C22H20N2O5S/c1-4-28-15-9-7-14(8-10-15)19(25)17-18(16-6-5-11-29-16)24(21(27)20(17)26)22-23-12(2)13(3)30-22/h5-11,17-18H,4H2,1-3H3
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n/an/a 6.36E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55021
PNG
(8-(2,5-dimethoxyphenyl)-3-(2-fluorophenyl)-6-keto-...)
Show SMILES COc1ccc(OC)c(c1)C1CC(=O)N2CN(CSC2=C1C#N)c1ccccc1F
Show InChI InChI=1S/C22H20FN3O3S/c1-28-14-7-8-20(29-2)16(9-14)15-10-21(27)26-12-25(13-30-22(26)17(15)11-24)19-6-4-3-5-18(19)23/h3-9,15H,10,12-13H2,1-2H3
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n/an/a 6.77E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55047
PNG
(4-[[4-[(E)-2-cyano-3-oxidanylidene-3-[(phenylmethy...)
Show SMILES OC(=O)c1ccc(COc2ccc(\C=C(/C#N)C(=O)NCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C25H20N2O4/c26-15-22(24(28)27-16-19-4-2-1-3-5-19)14-18-8-12-23(13-9-18)31-17-20-6-10-21(11-7-20)25(29)30/h1-14H,16-17H2,(H,27,28)(H,29,30)/b22-14+
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n/an/a 7.07E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM54721
PNG
(3-(4-bromophenyl)-6-keto-8-(5-methyl-2-furyl)-2,4,...)
Show SMILES Cc1ccc(o1)C1CC(=O)N2CN(CSC2=C1C#N)c1ccc(Br)cc1
Show InChI InChI=1S/C19H16BrN3O2S/c1-12-2-7-17(25-12)15-8-18(24)23-10-22(11-26-19(23)16(15)9-21)14-5-3-13(20)4-6-14/h2-7,15H,8,10-11H2,1H3
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n/an/a 7.09E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM50581
PNG
(2-[[[2-(2-furyl)quinoline-4-carbonyl]hydrazono]met...)
Show SMILES OC(=O)c1ccccc1C=NNC(=O)c1cc(nc2ccccc12)-c1ccco1
Show InChI InChI=1S/C22H15N3O4/c26-21(25-23-13-14-6-1-2-7-15(14)22(27)28)17-12-19(20-10-5-11-29-20)24-18-9-4-3-8-16(17)18/h1-13H,(H,25,26)(H,27,28)
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n/an/a 7.35E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55059
PNG
(6-hydroxy-9-phenyl-3-xanthenone | 6-hydroxy-9-phen...)
Show SMILES Oc1ccc2c(-c3ccccc3)c3ccc(=O)cc3oc2c1
Show InChI InChI=1S/C19H12O3/c20-13-6-8-15-17(10-13)22-18-11-14(21)7-9-16(18)19(15)12-4-2-1-3-5-12/h1-11,20H
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n/an/a 7.38E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55035
PNG
((6E)-4-benzyl-6-[(4-morpholin-4-ylanilino)methylid...)
Show SMILES [O-][N+](=O)c1c[c-](Cc2ccccc2)cc(\C=[NH+]\c2ccc(cc2)N2CCOCC2)c1=O
Show InChI InChI=1S/C24H22N3O4/c28-24-20(15-19(16-23(24)27(29)30)14-18-4-2-1-3-5-18)17-25-21-6-8-22(9-7-21)26-10-12-31-13-11-26/h1-9,15-17H,10-14H2/q-1/p+1/b25-17+
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n/an/a 7.65E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55048
PNG
(1-[1-(4,5-diphenylthiophen-2-yl)ethylideneamino]th...)
Show SMILES CC(=NNC(N)=S)c1cc(c(s1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H17N3S2/c1-13(21-22-19(20)23)17-12-16(14-8-4-2-5-9-14)18(24-17)15-10-6-3-7-11-15/h2-12H,1H3,(H3,20,22,23)
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n/an/a 7.78E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM48853
PNG
((6E)-2-(2-furanyl)-5-imino-6-[[1-(4-methoxyphenyl)...)
Show SMILES COc1ccc(cc1)-n1cccc1\C=C1\C(=O)N=C2SC(=NN2C1=N)c1ccco1
Show InChI InChI=1S/C21H15N5O3S/c1-28-15-8-6-13(7-9-15)25-10-2-4-14(25)12-16-18(22)26-21(23-19(16)27)30-20(24-26)17-5-3-11-29-17/h2-12,22H,1H3/b16-12+,22-18?
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n/an/a 7.79E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM47551
PNG
(1-[(5S)-5-bicyclo[2.2.1]hept-2-enyl]-3-[[(E)-(3,5-...)
Show SMILES Oc1c(Br)cc(Br)cc1C=NNC(=S)N[C@H]1CC2CC1C=C2
Show InChI InChI=1S/C15H15Br2N3OS/c16-11-5-10(14(21)12(17)6-11)7-18-20-15(22)19-13-4-8-1-2-9(13)3-8/h1-2,5-9,13,21H,3-4H2,(H2,19,20,22)/t8?,9?,13-/m0/s1
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n/an/a 7.80E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM50414
PNG
(4-bromanyl-2-[(E)-3-(2,4-dichlorophenyl)prop-2-eno...)
Show SMILES CNc1ccc(Br)cc(C(=O)\C=C\c2ccc(Cl)cc2Cl)c1=O
Show InChI InChI=1S/C17H12BrCl2NO2/c1-21-15-6-4-11(18)8-13(17(15)23)16(22)7-3-10-2-5-12(19)9-14(10)20/h2-9H,1H3,(H,21,23)/b7-3+
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n/an/a 8.09E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55045
PNG
(1-(5-bicyclo[2.2.1]hept-2-enyl)-3-[[(E)-(3,5-dichl...)
Show SMILES Oc1c(Cl)cc(Cl)cc1C=NNC(=S)NC1CC2CC1C=C2
Show InChI InChI=1S/C15H15Cl2N3OS/c16-11-5-10(14(21)12(17)6-11)7-18-20-15(22)19-13-4-8-1-2-9(13)3-8/h1-2,5-9,13,21H,3-4H2,(H2,19,20,22)
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n/an/a 8.21E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM41129
PNG
(2-[5-(4'-Methoxy-biphenyl-4-yl)-tetrazol-2-yl]...)
Show SMILES CCC(C(O)=O)n1nnc(n1)-c1ccc(cc1)-c1ccc(OC)cc1
Show InChI InChI=1S/C18H18N4O3/c1-3-16(18(23)24)22-20-17(19-21-22)14-6-4-12(5-7-14)13-8-10-15(25-2)11-9-13/h4-11,16H,3H2,1-2H3,(H,23,24)
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n/an/a 8.42E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM40229
PNG
(2-(5,6-Di-furan-2-yl-[1,2,4]triazin-3-ylsulfanyl)-...)
Show SMILES Cc1ccccc1NC(=O)CSc1nnc(-c2ccco2)c(n1)-c1ccco1
Show InChI InChI=1S/C20H16N4O3S/c1-13-6-2-3-7-14(13)21-17(25)12-28-20-22-18(15-8-4-10-26-15)19(23-24-20)16-9-5-11-27-16/h2-11H,12H2,1H3,(H,21,25)
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n/an/a 8.62E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55029
PNG
(Furan-2-carboxylic acid benzyl-(3-furan-2-yl-3-p-t...)
Show SMILES Cc1ccc(cc1)C(CCN(Cc1ccccc1)C(=O)c1ccco1)c1ccco1
Show InChI InChI=1S/C26H25NO3/c1-20-11-13-22(14-12-20)23(24-9-5-17-29-24)15-16-27(19-21-7-3-2-4-8-21)26(28)25-10-6-18-30-25/h2-14,17-18,23H,15-16,19H2,1H3
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n/an/a 8.82E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55053
PNG
(2-hydroxy-6-methyl-3-[(E)-1-oxo-3-(2,3,4,5,6-penta...)
Show SMILES Cc1cc(O)c(C(=O)C=Cc2c(F)c(F)c(F)c(F)c2F)c(=O)o1
Show InChI InChI=1S/C15H7F5O4/c1-5-4-8(22)9(15(23)24-5)7(21)3-2-6-10(16)12(18)14(20)13(19)11(6)17/h2-4,22H,1H3
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n/an/a 8.85E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM33067
PNG
(4-bromanyl-2-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]...)
Show SMILES CNc1ccc(Br)cc(C(=O)\C=C\c2cccc(OC)c2)c1=O
Show InChI InChI=1S/C18H16BrNO3/c1-20-16-8-7-13(19)11-15(18(16)22)17(21)9-6-12-4-3-5-14(10-12)23-2/h3-11H,1-2H3,(H,20,22)/b9-6+
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n/an/a 8.97E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55031
PNG
((6Z)-5-azanylidene-2-methyl-6-[(5-nitrofuran-2-yl)...)
Show SMILES Cc1cn2c([NH-])c([CH+]c3ccc(o3)[N+]([O-])=O)c(=O)nc2s1
Show InChI InChI=1S/C12H8N4O4S/c1-6-5-15-10(13)8(11(17)14-12(15)21-6)4-7-2-3-9(20-7)16(18)19/h2-5H,1H3,(H-,13,17)
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n/an/a 9.08E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55051
PNG
((E)-3-(3,5-dibromo-2-hydroxy-phenyl)-1-(5-methyl-2...)
Show SMILES Cc1ccc(o1)C(=O)\C=C\c1cc(Br)cc(Br)c1O
Show InChI InChI=1S/C14H10Br2O3/c1-8-2-5-13(19-8)12(17)4-3-9-6-10(15)7-11(16)14(9)18/h2-7,18H,1H3/b4-3+
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n/an/a 9.14E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM43228
PNG
(1,1,4,4-tetraketo-6-phenyl-N-(p-tolyl)-2,3-dihydro...)
Show SMILES Cc1ccc(NC(=O)C2=C(c3ccccc3)S(=O)(=O)CCS2(=O)=O)cc1
Show InChI InChI=1S/C18H17NO5S2/c1-13-7-9-15(10-8-13)19-18(20)17-16(14-5-3-2-4-6-14)25(21,22)11-12-26(17,23)24/h2-10H,11-12H2,1H3,(H,19,20)
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n/an/a 9.23E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM52875
PNG
((5E)-1-(4-methoxyphenyl)-5-[(5-nitro-2-thienyl)met...)
Show SMILES COc1ccc(cc1)-n1c(=O)[nH]c([O-])c([CH+]c2ccc(s2)[N+]([O-])=O)c1=O
Show InChI InChI=1S/C16H11N3O6S/c1-25-10-4-2-9(3-5-10)18-15(21)12(14(20)17-16(18)22)8-11-6-7-13(26-11)19(23)24/h2-8H,1H3,(H-,17,20,21,22)
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n/an/a 9.42E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM40115
PNG
((4Z)-2-(allylthio)-4-[(E)-3-(2-furyl)prop-2-enylid...)
Show SMILES C=CCSC1=N\C(=C/C=C/c2ccco2)C(=O)S1
Show InChI InChI=1S/C13H11NO2S2/c1-2-9-17-13-14-11(12(15)18-13)7-3-5-10-6-4-8-16-10/h2-8H,1,9H2/b5-3+,11-7-
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n/an/a 1.10E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM29684
PNG
((3E)-3-(2-furanylmethylidene)-1,2-dihydrocyclopent...)
Show SMILES CC1CCCCC1NC(=O)COC(=O)c1c2CC\C(=C/c3ccco3)c2nc2ccccc12
Show InChI InChI=1S/C27H28N2O4/c1-17-7-2-4-10-22(17)28-24(30)16-33-27(31)25-20-9-3-5-11-23(20)29-26-18(12-13-21(25)26)15-19-8-6-14-32-19/h3,5-6,8-9,11,14-15,17,22H,2,4,7,10,12-13,16H2,1H3,(H,28,30)/b18-15+
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n/an/a 1.11E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55028
PNG
(MLS000587332 | N-(4-keto-6,6-dimethyl-2-nonyl-5,8-...)
Show SMILES CCCCCCCCCc1nc2sc3COC(C)(C)Cc3c2c(=O)n1NC(=O)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C27H34N4O5S/c1-4-5-6-7-8-9-10-15-22-28-25-23(19-16-27(2,3)36-17-21(19)37-25)26(33)30(22)29-24(32)18-13-11-12-14-20(18)31(34)35/h11-14H,4-10,15-17H2,1-3H3,(H,29,32)
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n/an/a 1.12E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM33069
PNG
(4-bromanyl-2-[(E)-3-(2,5-dimethoxyphenyl)prop-2-en...)
Show SMILES CNc1ccc(Br)cc(C(=O)\C=C\c2cc(OC)ccc2OC)c1=O
Show InChI InChI=1S/C19H18BrNO4/c1-21-16-7-5-13(20)11-15(19(16)23)17(22)8-4-12-10-14(24-2)6-9-18(12)25-3/h4-11H,1-3H3,(H,21,23)/b8-4+
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n/an/a 1.13E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55018
PNG
(MLS000058706 | N-(1-cyano-1,2-dimethyl-propyl)-2-[...)
Show SMILES CC(C)C(C)(NC(=O)CSc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1)C#N
Show InChI InChI=1S/C24H22N4O3S2/c1-15(2)24(3,14-25)27-19(29)13-33-23-26-21-20(17(12-32-21)18-10-7-11-31-18)22(30)28(23)16-8-5-4-6-9-16/h4-12,15H,13H2,1-3H3,(H,27,29)
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n/an/a 1.13E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM50086
PNG
(MLS000520654 | SMR000131064 | [2,3-bis(2-furanyl)-...)
Show SMILES O=C(N1CCN(CC1)c1ncccn1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C25H20N6O3/c32-24(30-10-12-31(13-11-30)25-26-8-3-9-27-25)17-6-7-18-19(16-17)29-23(21-5-2-15-34-21)22(28-18)20-4-1-14-33-20/h1-9,14-16H,10-13H2
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n/an/a 1.15E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55049
PNG
(MLS001212293 | N-[N'-(2-Butoxy-benzoyl)-hydraz...)
Show SMILES CCCCOc1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C19H20N4O5S/c1-2-3-12-28-16-11-7-5-9-14(16)18(25)21-22-19(29)20-17(24)13-8-4-6-10-15(13)23(26)27/h4-11H,2-3,12H2,1H3,(H,21,25)(H2,20,22,24,29)
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n/an/a 1.22E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55050
PNG
(3-[4-keto-2-[(E)-styryl]quinazolin-3-yl]benzoic ac...)
Show SMILES OC(=O)c1cccc(c1)-n1c(\C=C\c2ccccc2)nc2ccccc2c1=O
Show InChI InChI=1S/C23H16N2O3/c26-22-19-11-4-5-12-20(19)24-21(14-13-16-7-2-1-3-8-16)25(22)18-10-6-9-17(15-18)23(27)28/h1-15H,(H,27,28)/b14-13+
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n/an/a 1.23E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM29685
PNG
((3E)-3-(2-furanylmethylidene)-1,2-dihydrocyclopent...)
Show SMILES O=C(COC(=O)c1c2CC\C(=C/c3ccco3)c2nc2ccccc12)NC1CCCC1
Show InChI InChI=1S/C25H24N2O4/c28-22(26-17-6-1-2-7-17)15-31-25(29)23-19-9-3-4-10-21(19)27-24-16(11-12-20(23)24)14-18-8-5-13-30-18/h3-5,8-10,13-14,17H,1-2,6-7,11-12,15H2,(H,26,28)/b16-14+
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n/an/a 1.26E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55044
PNG
(5-(phenylhydrazinylidene)cyclohepta-3,6-diene-1,2-...)
Show SMILES Oc1ccc(ccc1=O)N=Nc1ccccc1
Show InChI InChI=1S/C13H10N2O2/c16-12-8-6-11(7-9-13(12)17)15-14-10-4-2-1-3-5-10/h1-9H,(H,16,17)
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n/an/a 1.26E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM44910
PNG
(MLS000520652 | SMR000131062 | [2,3-bis(2-furanyl)-...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C29H26N4O3/c1-19-7-8-20(2)24(17-19)32-11-13-33(14-12-32)29(34)21-9-10-22-23(18-21)31-28(26-6-4-16-36-26)27(30-22)25-5-3-15-35-25/h3-10,15-18H,11-14H2,1-2H3
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n/an/a 1.42E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55036
PNG
((5E)-1-(3,4-dimethylphenyl)-5-[(E)-3-(2-furanyl)pr...)
Show SMILES Cc1ccc(cc1C)N1C(=O)NC(=O)C(=CC=Cc2ccco2)C1=O
Show InChI InChI=1S/C19H16N2O4/c1-12-8-9-14(11-13(12)2)21-18(23)16(17(22)20-19(21)24)7-3-5-15-6-4-10-25-15/h3-11H,1-2H3,(H,20,22,24)
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n/an/a 1.44E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55022
PNG
(1-cyclopropyl-6-fluoranyl-8-methoxy-7-[3-methyl-4-...)
Show SMILES COc1c(N2CCN(C(C)C2)C(=S)NCc2ccccc2)c(F)cc2c1n(cc(C(O)=O)c2=O)C1CC1
Show InChI InChI=1S/C27H29FN4O4S/c1-16-14-30(10-11-31(16)27(37)29-13-17-6-4-3-5-7-17)23-21(28)12-19-22(25(23)36-2)32(18-8-9-18)15-20(24(19)33)26(34)35/h3-7,12,15-16,18H,8-11,13-14H2,1-2H3,(H,29,37)(H,34,35)
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n/an/a 1.49E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55071
PNG
(2-(2,4-dichlorophenoxy)-N-[[(2-methyl-3-furoyl)ami...)
Show SMILES Cc1occc1C(=O)NNC(=S)NC(=O)COc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C15H13Cl2N3O4S/c1-8-10(4-5-23-8)14(22)19-20-15(25)18-13(21)7-24-12-3-2-9(16)6-11(12)17/h2-6H,7H2,1H3,(H,19,22)(H2,18,20,21,25)
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n/an/a 1.52E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM43895
PNG
(6-(4-ethoxyphenyl)-8-[(E)-2-phenylethenyl]-3,4a,7a...)
Show SMILES CCOc1ccc(cc1)-n1c(O)c2Sc3[nH]c(=O)sc3C(C=Cc3ccccc3)c2c1O
Show InChI InChI=1S/C24H20N2O4S2/c1-2-30-16-11-9-15(10-12-16)26-22(27)18-17(13-8-14-6-4-3-5-7-14)19-21(25-24(29)32-19)31-20(18)23(26)28/h3-13,17,27-28H,2H2,1H3,(H,25,29)
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n/an/a 1.54E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55043
PNG
((5E)-5-[(5-nitro-2-thienyl)methylene]-1-phenyl-bar...)
Show SMILES [O-]c1[nH]c(=O)n(-c2ccccc2)c(=O)c1[CH+]c1ccc(s1)[N+]([O-])=O
Show InChI InChI=1S/C15H9N3O5S/c19-13-11(8-10-6-7-12(24-10)18(22)23)14(20)17(15(21)16-13)9-4-2-1-3-5-9/h1-8H,(H-,16,19,20,21)
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n/an/a 1.57E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55034
PNG
(MLS000391053 | N-[3-cyano-4,5-bis(2-furanyl)-2-fur...)
Show SMILES CC(Oc1ccccc1)C(=O)Nc1oc(-c2ccco2)c(-c2ccco2)c1C#N
Show InChI InChI=1S/C22H16N2O5/c1-14(28-15-7-3-2-4-8-15)21(25)24-22-16(13-23)19(17-9-5-11-26-17)20(29-22)18-10-6-12-27-18/h2-12,14H,1H3,(H,24,25)
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n/an/a 1.67E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55041
PNG
((5Z)-5-[(2E,4E)-5-anilinopenta-2,4-dienylidene]-3-...)
Show SMILES Oc1c(C=CC=CC=Nc2ccccc2)sc(=S)n1Cc1ccccc1
Show InChI InChI=1S/C21H18N2OS2/c24-20-19(14-8-3-9-15-22-18-12-6-2-7-13-18)26-21(25)23(20)16-17-10-4-1-5-11-17/h1-15,24H,16H2
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n/an/a 1.73E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55020
PNG
(2,3-di-2-furyl-6-[(4-phenyl-1-piperazinyl)carbonyl...)
Show SMILES O=C(N1CCN(CC1)c1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C27H22N4O3/c32-27(31-14-12-30(13-15-31)20-6-2-1-3-7-20)19-10-11-21-22(18-19)29-26(24-9-5-17-34-24)25(28-21)23-8-4-16-33-23/h1-11,16-18H,12-15H2
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n/an/a 1.97E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55024
PNG
((4Z)-2-(2-furanyl)-4-[[5-[3-(trifluoromethyl)pheny...)
Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(\C=C2/N=C(OC2=O)c2ccco2)o1
Show InChI InChI=1S/C19H10F3NO4/c20-19(21,22)12-4-1-3-11(9-12)15-7-6-13(26-15)10-14-18(24)27-17(23-14)16-5-2-8-25-16/h1-10H/b14-10-
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n/an/a 2.22E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55023
PNG
(2-(4-chlorophenyl)-5-(2-furanyl)-N-propan-2-yl-3-p...)
Show SMILES CC(C)NC(=O)c1cc(nn1-c1ccc(Cl)cc1)-c1ccco1
Show InChI InChI=1S/C17H16ClN3O2/c1-11(2)19-17(22)15-10-14(16-4-3-9-23-16)20-21(15)13-7-5-12(18)6-8-13/h3-11H,1-2H3,(H,19,22)
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n/an/a 2.32E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55026
PNG
((4Z)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-[(Z)-3-p...)
Show SMILES COc1ccccc1\C=C\C1=N\C(=C/C=C\c2ccccc2)\C(=O)O1
Show InChI InChI=1S/C21H17NO3/c1-24-19-13-6-5-11-17(19)14-15-20-22-18(21(23)25-20)12-7-10-16-8-3-2-4-9-16/h2-15H,1H3/b10-7-,15-14+,18-12-
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n/an/a 2.41E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM40012
PNG
((5Z)-5-(3,4-diethoxybenzylidene)-2-(2-furyl)[1,3]t...)
Show SMILES CCOc1ccc(C=c2sc3nc(nn3c2=O)-c2ccco2)cc1OCC
Show InChI InChI=1S/C19H17N3O4S/c1-3-24-13-8-7-12(10-15(13)25-4-2)11-16-18(23)22-19(27-16)20-17(21-22)14-6-5-9-26-14/h5-11H,3-4H2,1-2H3
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n/an/a 2.47E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM48125
PNG
(2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-6...)
Show SMILES CCc1cc2c(nc(SCc3c(C)noc3C)n(Cc3ccco3)c2=O)s1
Show InChI InChI=1S/C19H19N3O3S2/c1-4-14-8-15-17(27-14)20-19(26-10-16-11(2)21-25-12(16)3)22(18(15)23)9-13-6-5-7-24-13/h5-8H,4,9-10H2,1-3H3
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n/an/a 2.56E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM50394
PNG
((5E)-5-[(E)-3-(2-furanyl)prop-2-enylidene]-2-(4-me...)
Show SMILES COc1ccc(NC2=NC(=O)C(S2)=CC=Cc2ccco2)cc1
Show InChI InChI=1S/C17H14N2O3S/c1-21-13-9-7-12(8-10-13)18-17-19-16(20)15(23-17)6-2-4-14-5-3-11-22-14/h2-11H,1H3,(H,18,19,20)
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n/an/a 2.59E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM50024
PNG
(MLS000098300 | N-[4,5-bis(2-furanyl)-2-thiazolyl]-...)
Show SMILES O=C(Nc1nc(-c2ccco2)c(s1)-c1ccco1)C1CN(C(=O)C1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C24H19N3O6S/c28-20-11-14(13-27(20)15-5-6-16-19(12-15)33-10-9-32-16)23(29)26-24-25-21(17-3-1-7-30-17)22(34-24)18-4-2-8-31-18/h1-8,12,14H,9-11,13H2,(H,25,26,29)
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n/an/a 2.63E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55030
PNG
(MLS000335724 | N-[4,5-bis(2-furanyl)-2-thiazolyl]c...)
Show SMILES O=C(Nc1nc(-c2ccco2)c(s1)-c1ccco1)C1CCC1
Show InChI InChI=1S/C16H14N2O3S/c19-15(10-4-1-5-10)18-16-17-13(11-6-2-8-20-11)14(22-16)12-7-3-9-21-12/h2-3,6-10H,1,4-5H2,(H,17,18,19)
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n/an/a 3.04E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55080
PNG
(MLS001238051 | N-(6-sulfamoyl-1,3-benzothiazol-2-y...)
Show SMILES NS(=O)(=O)c1ccc2nc(NC(=O)c3ccc4ncsc4c3)sc2c1
Show InChI InChI=1S/C15H10N4O3S3/c16-25(21,22)9-2-4-11-13(6-9)24-15(18-11)19-14(20)8-1-3-10-12(5-8)23-7-17-10/h1-7H,(H2,16,21,22)(H,18,19,20)
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n/an/a 3.20E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM52167
PNG
(2-amino-4-[2-(4-fluorobenzyl)oxy-3-methoxy-phenyl]...)
Show SMILES COc1cccc(C2C(C#N)C(=N)OC3=C2C(=O)CC(C3)c2ccco2)c1OCc1ccc(F)cc1
Show InChI InChI=1S/C28H23FN2O5/c1-33-23-5-2-4-19(27(23)35-15-16-7-9-18(29)10-8-16)25-20(14-30)28(31)36-24-13-17(12-21(32)26(24)25)22-6-3-11-34-22/h2-11,17,20,25,31H,12-13,15H2,1H3
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n/an/a 3.35E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM30732
PNG
(8-(2-furanyl)-3,3-dimethyl-6-(2-phenylethylamino)-...)
Show SMILES CC1(C)Cc2c(CO1)c(nc(NCCc1ccccc1)c2C#N)-c1ccco1
Show InChI InChI=1S/C23H23N3O2/c1-23(2)13-17-18(14-24)22(25-11-10-16-7-4-3-5-8-16)26-21(19(17)15-28-23)20-9-6-12-27-20/h3-9,12H,10-11,13,15H2,1-2H3,(H,25,26)
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n/an/a 3.53E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM50131
PNG
(3-Amino-6-furan-2-yl-thieno[2,3-b]pyridine-2-carbo...)
Show SMILES Nc1c(sc2nc(ccc12)-c1ccco1)C(=O)Nc1ccccc1F
Show InChI InChI=1S/C18H12FN3O2S/c19-11-4-1-2-5-12(11)21-17(23)16-15(20)10-7-8-13(22-18(10)25-16)14-6-3-9-24-14/h1-9H,20H2,(H,21,23)
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n/an/a>3.63E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM50151
PNG
(3-Amino-6,7-dimethoxy-thieno[2,3-b]quinoline-2-car...)
Show SMILES COc1cc2cc3c(N)c(sc3nc2cc1OC)C(=O)Nc1sc(C)c(C)c1C#N
Show InChI InChI=1S/C21H18N4O3S2/c1-9-10(2)29-21(13(9)8-22)25-19(26)18-17(23)12-5-11-6-15(27-3)16(28-4)7-14(11)24-20(12)30-18/h5-7H,23H2,1-4H3,(H,25,26)
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n/an/a>3.63E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55027
PNG
(2-(4-amoxy-3-methoxy-benzylidene)-6-phenyl-thiazol...)
Show SMILES CCCCCOc1ccc(C=c2sc3nc(=O)c(nn3c2=O)-c2ccccc2)cc1OC
Show InChI InChI=1S/C24H23N3O4S/c1-3-4-8-13-31-18-12-11-16(14-19(18)30-2)15-20-23(29)27-24(32-20)25-22(28)21(26-27)17-9-6-5-7-10-17/h5-7,9-12,14-15H,3-4,8,13H2,1-2H3
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n/an/a>3.63E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55017
PNG
(2-[[3-allyl-5-(2-furyl)-4-keto-thieno[2,3-d]pyrimi...)
Show SMILES CCCCNC(=O)CSc1nc2scc(-c3ccco3)c2c(=O)n1CC=C
Show InChI InChI=1S/C19H21N3O3S2/c1-3-5-8-20-15(23)12-27-19-21-17-16(18(24)22(19)9-4-2)13(11-26-17)14-7-6-10-25-14/h4,6-7,10-11H,2-3,5,8-9,12H2,1H3,(H,20,23)
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n/an/a 3.75E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM33116
PNG
((E)-3-(5-methyl-2-furanyl)-N-[3-[[(E)-3-(5-methyl-...)
Show SMILES Cc1ccc(\C=C\C(=O)Nc2ccc(c(NC(=O)\C=C\c3ccc(C)o3)c2)[N+]([O-])=O)o1
Show InChI InChI=1S/C22H19N3O6/c1-14-3-6-17(30-14)8-11-21(26)23-16-5-10-20(25(28)29)19(13-16)24-22(27)12-9-18-7-4-15(2)31-18/h3-13H,1-2H3,(H,23,26)(H,24,27)/b11-8+,12-9+
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n/an/a 4.13E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55060
PNG
(4-(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,...)
Show SMILES COc1ccc2[nH]c3c([nH]c(=S)n(CCCC(=O)NC4CCCCC4C)c3=O)c2c1
Show InChI InChI=1S/C22H28N4O3S/c1-13-6-3-4-7-16(13)23-18(27)8-5-11-26-21(28)20-19(25-22(26)30)15-12-14(29-2)9-10-17(15)24-20/h9-10,12-13,16,24H,3-8,11H2,1-2H3,(H,23,27)(H,25,30)
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n/an/a 4.57E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM46567
PNG
(MLS000374959 | N-[4,5-bis(2-furanyl)-2-thiazolyl]-...)
Show SMILES ClCC(=O)Nc1nc(-c2ccco2)c(s1)-c1ccco1
Show InChI InChI=1S/C13H9ClN2O3S/c14-7-10(17)15-13-16-11(8-3-1-5-18-8)12(20-13)9-4-2-6-19-9/h1-6H,7H2,(H,15,16,17)
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n/an/a 4.78E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55019
PNG
(5-(2-furanyl)-2-(2-imidazo[1,2-a]pyrimidinylmethyl...)
Show SMILES O=c1n(c(SCc2cn3cccnc3n2)nc2scc(-c3ccco3)c12)-c1ccccc1
Show InChI InChI=1S/C23H15N5O2S2/c29-21-19-17(18-8-4-11-30-18)14-31-20(19)26-23(28(21)16-6-2-1-3-7-16)32-13-15-12-27-10-5-9-24-22(27)25-15/h1-12,14H,13H2
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n/an/a 4.97E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM37534
PNG
((2E,4R,12aR)-2-[amino(hydroxy)methylene]-4,7-bis(d...)
Show SMILES CN(C)[C@@H]1C2CC3Cc4c(ccc(O)c4C(=O)C3C(=O)[C@@]2(O)C(=O)C(C(N)=O)C1=O)N(C)C
Show InChI InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,14,16-17,27,33H,7-8H2,1-4H3,(H2,24,32)/t9?,11?,14?,16?,17-,23-/m1/s1
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55015
PNG
(3-[(3,4-Dihydro-1H-isoquinolin-2-yl)-(1-furan-2-yl...)
Show SMILES Cc1cc2cc(C(N3CCc4ccccc4C3)c3nnnn3Cc3ccco3)c(=O)[nH]c2cc1C
Show InChI InChI=1S/C27H26N6O2/c1-17-12-21-14-23(27(34)28-24(21)13-18(17)2)25(32-10-9-19-6-3-4-7-20(19)15-32)26-29-30-31-33(26)16-22-8-5-11-35-22/h3-8,11-14,25H,9-10,15-16H2,1-2H3,(H,28,34)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55038
PNG
((2E,4S,4aR,5S,5aR,12aS)-2-[amino(hydroxy)methylene...)
Show SMILES CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(C(=O)c4c(O)cccc4C3=C)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C22H22N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-6,10,12-15,17,25,27,32H,1H2,2-3H3,(H2,23,31)/t10-,12?,13?,14-,15+,17+,22+/m1/s1
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PCBioAssay
n/an/a>1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%